Geometry & MOs

Info

ID:	286918
PubChem CID:	104223531
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	9.0
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations